SCHEMBL24714566

SCHEMBL24714566

COc1cc2ncnc(Nc3cc(Br)ccc3OC)c2cc1COC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 6/20 0.52
▸ ERBB2 P04626 4/20 0.50
▸ KDR P35968 4/20 0.49
▸ EPHB4 P54760 3/20 0.49
▸ EGFR P00533 9/20 0.48
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FLT4 P35916 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27152211 0.88 EGFR (0.62) EPHA2ERBB2EPHB4EGFR
SCHEMBL30820508 0.88 EGFR (0.62) EPHA2ERBB2EPHB4EGFR
SCHEMBL27136650 0.86 EGFR (0.56) EPHA2ERBB2KDREPHB4EGFR
SCHEMBL30822092 0.86 EGFR (0.56) EPHA2ERBB2KDREPHB4EGFR
SCHEMBL27145372 0.82 EGFR (0.57) EPHA2ERBB2KDREGFRPIK3CD
SCHEMBL27148662 0.81 EPHA2 (0.57) EPHA2ERBB2EGFR
SCHEMBL30032119 0.81 EPHA2 (0.57) EPHA2ERBB2EGFR
SCHEMBL30820474 0.81 EPHA2 (0.57) EPHA2ERBB2EGFR
SCHEMBL27145045 0.80 EGFR (0.57) EPHA2KDREGFRPIK3CDPIK3CA
SCHEMBL1614506 0.78 KDR (0.75) EPHA2ERBB2KDREPHB4EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 — — WO disclosed
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